N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C18H18F3N5O3S — CID 172677053

IUPACN-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2sc(C)nc2C(F)(F)F)nc2cc(C(N)=O)cc(OC)c21
InChIInChI=1S/C18H18F3N5O3S/c1-4-5-26-12-10(6-9(15(22)27)7-11(12)29-3)24-17(26)25-16(28)13-14(18(19,20)21)23-8(2)30-13/h6-7H,4-5H2,1-3H3,(H2,22,27)(H,24,25,28)
InChIKeyXXWUMRVIZOEUCQ-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.59
Rot. Bonds6

About N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 172677053) has the molecular formula C18H18F3N5O3S and a molecular weight of 441.44 g/mol. Its IUPAC name is N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID172677053
Molecular FormulaC18H18F3N5O3S
Molecular Weight441.44 g/mol
Exact Mass441.11
IUPAC NameN-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2sc(C)nc2C(F)(F)F)nc2cc(C(N)=O)cc(OC)c21
InChIInChI=1S/C18H18F3N5O3S/c1-4-5-26-12-10(6-9(15(22)27)7-11(12)29-3)24-17(26)25-16(28)13-14(18(19,20)21)23-8(2)30-13/h6-7H,4-5H2,1-3H3,(H2,22,27)(H,24,25,28)
InChIKeyXXWUMRVIZOEUCQ-UHFFFAOYSA-N
XLogP3.59
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide
CID 175349387
4-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)amino]benzimidazol-4-yl]oxybutanoic acid
CID 155786956
N-[5-carbamoyl-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-hydroxypropoxy)benzimidazol-2-yl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 155041273
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-[2-(oxetan-3-yl)ethoxy]-1-propylbenzimidazole-5-carboxamide
CID 139313362
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-prop-2-enylbenzimidazole-5-carboxamide
CID 131986640
N-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)benzimidazol-1-yl]but-2-enyl]-4-methoxy-1,3-benzothiazol-2-ylidene]-4-ethyl-2-methyl-1,3-oxazole-5-carboxamide
CID 155787040
tert-butyl N-[3-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-propylbenzimidazol-4-yl]oxypropyl]carbamate
CID 155456512
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propyl-7-[2-(sulfamoylamino)ethoxy]benzimidazole-5-carboxamide
CID 155456462
N-[5-carbamoyl-1-[(E)-4-[5-carbamoyl-2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazol-2-yl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide;1-[(E)-4-[5-carboxy-2-[(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)amino]-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-7-methoxybenzimidazole-5-carboxylic acid
CID 165011384
3-[3-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-propylbenzimidazol-4-yl]oxypropoxy]propanoic acid
CID 166646818
ethyl 6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-propylbenzimidazole-4-carboxylate
CID 146812859
3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl N-phenylcarbamate
CID 175550842

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 172677053) is N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCCn1c(NC(=O)c2sc(C)nc2C(F)(F)F)nc2cc(C(N)=O)cc(OC)c21.
What is the InChIKey of N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XXWUMRVIZOEUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3S/c1-4-5-26-12-10(6-9(15(22)27)7-11(12)29-3)24-17(26)25-16(28)13-14(18(19,20)21)23-8(2)30-13/h6-7H,4-5H2,1-3H3,(H2,22,27)(H,24,25,28).
What are the key properties of N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 172677053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).